N-[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]methanamide

Systemtic Name: N-[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]methanamide Openeye Name: N-[1-(benzenesulfonyl)-3-oxo-azepan-4-yl]formamide CAS Name: N-[1-(benzenesulfonyl)-3-oxo-4-azepanyl]formamide IUPAC Name: N-[1-(benzenesulfonyl)-3-oxoazepan-4-yl]formamide Traditional Name: N-(1-besyl-3-keto-azepan-4-yl)formamide Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=C2)NC=O

Isomeric SMILES

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=C2)NC=O

InChI

InChI=1S/C13H16N2O4S/c16-10-14-12-7-4-8-15(9-13(12)17)20(18,19)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,14,16)